USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 620 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 ASN : amide:sc= 0.336 K(o=0.65,f=0) USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= 0.317 USER MOD Set 2.1: A 41 SER OG : rot -91:sc= 0.892 USER MOD Set 2.2: A 62 ASN : amide:sc= 0.847 K(o=1.7,f=-0.49) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0.716 (180deg=0.716) USER MOD Single : A 29 TYR OH : rot 30:sc= -0.154 USER MOD Single : A 32 THR OG1 : rot 148:sc= 0.524 USER MOD Single : A 33 MET CE :methyl -158:sc= -2.23! (180deg=-2.88!) USER MOD Single : A 34 LYS NZ :NH3+ -116:sc= 2.05 (180deg=-1.57!) USER MOD Single : A 35 ASN : amide:sc= 0.587 K(o=0.59,f=-1.3) USER MOD Single : A 40 CYS SG : rot -124:sc= 0.489 USER MOD Single : A 43 GLN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0.636 (180deg=0.636) USER MOD Single : A 52 ASN : amide:sc= -0.604 K(o=-0.6,f=-0.032) USER MOD Single : A 53 SER OG : rot 79:sc= 0.172 USER MOD Single : A 56 THR OG1 : rot 136:sc= -0.795 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0481 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0562 USER MOD Single : A 60 SER OG : rot 51:sc= 0.207 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.011 USER MOD Single : A 69 THR OG1 : rot -159:sc= 0.551 USER MOD Single : A 76 SER OG : rot 99:sc= 0.108 USER MOD Single : A 88 ASN : amide:sc= 0.386 K(o=0.39,f=-5.2!) USER MOD Single : A 95 SER OG : rot -92:sc= 1.11 USER MOD Single : A 104 ASN : amide:sc= -0.782 X(o=-0.78,f=-0.99) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 25 9.245 13.776 7.004 1.00 0.00 N ATOM 2 CA PRO A 25 10.002 14.982 6.590 1.00 0.00 C ATOM 3 C PRO A 25 9.086 16.182 6.267 1.00 0.00 C ATOM 4 O PRO A 25 8.364 16.633 7.154 1.00 0.00 O ATOM 5 CB PRO A 25 10.931 14.517 5.462 1.00 0.00 C ATOM 6 CG PRO A 25 11.376 13.151 5.985 1.00 0.00 C ATOM 7 CD PRO A 25 10.169 12.637 6.781 1.00 0.00 C ATOM 0 HA PRO A 25 10.607 15.394 7.398 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.412 14.442 4.506 1.00 0.00 H new ATOM 0 HB3 PRO A 25 11.772 15.195 5.316 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.630 12.476 5.168 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.261 13.236 6.615 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.665 11.839 6.235 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.492 12.217 7.733 1.00 0.00 H new ATOM 15 N ALA A 26 9.061 16.674 5.014 1.00 0.00 N ATOM 16 CA ALA A 26 8.085 17.663 4.518 1.00 0.00 C ATOM 17 C ALA A 26 6.627 17.223 4.787 1.00 0.00 C ATOM 18 O ALA A 26 5.770 18.021 5.180 1.00 0.00 O ATOM 19 CB ALA A 26 8.345 17.847 3.018 1.00 0.00 C ATOM 0 H ALA A 26 9.734 16.389 4.302 1.00 0.00 H new ATOM 0 HA ALA A 26 8.211 18.607 5.047 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.641 18.574 2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 26 9.363 18.205 2.866 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.216 16.893 2.507 1.00 0.00 H new ATOM 25 N LYS A 27 6.398 15.915 4.640 1.00 0.00 N ATOM 26 CA LYS A 27 5.229 15.132 5.047 1.00 0.00 C ATOM 27 C LYS A 27 5.717 13.793 5.604 1.00 0.00 C ATOM 28 O LYS A 27 6.890 13.440 5.474 1.00 0.00 O ATOM 29 CB LYS A 27 4.295 14.864 3.833 1.00 0.00 C ATOM 30 CG LYS A 27 2.893 15.466 3.991 1.00 0.00 C ATOM 31 CD LYS A 27 2.073 14.801 5.115 1.00 0.00 C ATOM 32 CE LYS A 27 0.558 14.902 4.907 1.00 0.00 C ATOM 33 NZ LYS A 27 0.075 16.305 4.807 1.00 0.00 N ATOM 0 H LYS A 27 7.094 15.321 4.189 1.00 0.00 H new ATOM 0 HA LYS A 27 4.670 15.688 5.800 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.757 15.271 2.933 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.205 13.788 3.686 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.983 16.533 4.197 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.354 15.368 3.049 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.353 13.750 5.185 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.333 15.264 6.067 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.285 14.365 3.999 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.050 14.407 5.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.956 16.308 4.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.307 16.815 5.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.535 16.774 4.001 1.00 0.00 H new ATOM 47 N ARG A 28 4.803 13.070 6.236 1.00 0.00 N ATOM 48 CA ARG A 28 4.852 11.644 6.563 1.00 0.00 C ATOM 49 C ARG A 28 3.417 11.222 6.867 1.00 0.00 C ATOM 50 O ARG A 28 2.639 12.048 7.350 1.00 0.00 O ATOM 51 CB ARG A 28 5.860 11.302 7.653 1.00 0.00 C ATOM 52 CG ARG A 28 5.444 11.635 9.100 1.00 0.00 C ATOM 53 CD ARG A 28 6.354 10.847 10.038 1.00 0.00 C ATOM 54 NE ARG A 28 6.067 9.399 9.935 1.00 0.00 N ATOM 55 CZ ARG A 28 5.294 8.655 10.699 1.00 0.00 C ATOM 56 NH1 ARG A 28 4.792 9.033 11.834 1.00 0.00 N ATOM 57 NH2 ARG A 28 4.967 7.473 10.291 1.00 0.00 N ATOM 0 H ARG A 28 3.936 13.497 6.562 1.00 0.00 H new ATOM 0 HA ARG A 28 5.232 11.067 5.720 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.076 10.235 7.596 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.790 11.827 7.435 1.00 0.00 H new ATOM 0 HG2 ARG A 28 5.536 12.705 9.288 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.400 11.370 9.268 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.398 11.037 9.787 1.00 0.00 H new ATOM 0 HD3 ARG A 28 6.207 11.182 11.065 1.00 0.00 H new ATOM 0 HE ARG A 28 6.531 8.911 9.169 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.988 9.967 12.193 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.201 8.396 12.368 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.307 7.132 9.392 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.369 6.881 10.868 1.00 0.00 H new ATOM 71 N TYR A 29 3.038 9.990 6.555 1.00 0.00 N ATOM 72 CA TYR A 29 1.619 9.624 6.551 1.00 0.00 C ATOM 73 C TYR A 29 1.246 8.190 6.875 1.00 0.00 C ATOM 74 O TYR A 29 0.127 7.933 7.326 1.00 0.00 O ATOM 75 CB TYR A 29 1.066 9.996 5.165 1.00 0.00 C ATOM 76 CG TYR A 29 1.749 9.358 3.966 1.00 0.00 C ATOM 77 CD1 TYR A 29 1.480 7.998 3.716 1.00 0.00 C ATOM 78 CD2 TYR A 29 2.523 10.103 3.043 1.00 0.00 C ATOM 79 CE1 TYR A 29 1.986 7.361 2.576 1.00 0.00 C ATOM 80 CE2 TYR A 29 2.968 9.483 1.862 1.00 0.00 C ATOM 81 CZ TYR A 29 2.697 8.110 1.628 1.00 0.00 C ATOM 82 OH TYR A 29 2.999 7.495 0.454 1.00 0.00 O ATOM 0 H TYR A 29 3.677 9.235 6.305 1.00 0.00 H new ATOM 0 HA TYR A 29 1.179 10.175 7.382 1.00 0.00 H new ATOM 0 HB2 TYR A 29 0.009 9.729 5.137 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.125 11.079 5.054 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.875 7.438 4.414 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.769 11.135 3.244 1.00 0.00 H new ATOM 0 HE1 TYR A 29 1.830 6.303 2.429 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.519 10.055 1.130 1.00 0.00 H new ATOM 0 HH TYR A 29 2.309 6.831 0.246 1.00 0.00 H new ATOM 92 N ARG A 30 2.185 7.293 6.613 1.00 0.00 N ATOM 93 CA ARG A 30 2.126 5.841 6.766 1.00 0.00 C ATOM 94 C ARG A 30 0.728 5.236 6.533 1.00 0.00 C ATOM 95 O ARG A 30 -0.047 5.085 7.480 1.00 0.00 O ATOM 96 CB ARG A 30 2.747 5.488 8.118 1.00 0.00 C ATOM 97 CG ARG A 30 3.313 4.060 8.193 1.00 0.00 C ATOM 98 CD ARG A 30 2.249 2.990 8.409 1.00 0.00 C ATOM 99 NE ARG A 30 1.576 3.205 9.707 1.00 0.00 N ATOM 100 CZ ARG A 30 0.505 2.623 10.199 1.00 0.00 C ATOM 101 NH1 ARG A 30 -0.150 1.680 9.581 1.00 0.00 N ATOM 102 NH2 ARG A 30 0.063 3.046 11.337 1.00 0.00 N ATOM 0 H ARG A 30 3.093 7.588 6.254 1.00 0.00 H new ATOM 0 HA ARG A 30 2.708 5.373 5.972 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.546 6.196 8.335 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.993 5.610 8.896 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.852 3.843 7.271 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.038 4.008 9.005 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.518 3.023 7.601 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.706 2.001 8.386 1.00 0.00 H new ATOM 0 HE ARG A 30 2.005 3.908 10.309 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.163 1.357 8.666 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -0.976 1.265 10.013 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.543 3.806 11.820 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.766 2.620 11.752 1.00 0.00 H new ATOM 116 N ILE A 31 0.379 4.914 5.292 1.00 0.00 N ATOM 117 CA ILE A 31 -0.870 4.199 4.972 1.00 0.00 C ATOM 118 C ILE A 31 -0.860 2.755 5.439 1.00 0.00 C ATOM 119 O ILE A 31 0.197 2.155 5.571 1.00 0.00 O ATOM 120 CB ILE A 31 -1.216 4.200 3.463 1.00 0.00 C ATOM 121 CG1 ILE A 31 -0.138 3.519 2.620 1.00 0.00 C ATOM 122 CG2 ILE A 31 -1.460 5.606 2.936 1.00 0.00 C ATOM 123 CD1 ILE A 31 -0.585 3.213 1.190 1.00 0.00 C ATOM 0 H ILE A 31 0.947 5.137 4.475 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.630 4.761 5.515 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.138 3.626 3.371 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.744 4.158 2.588 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.159 2.590 3.106 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.699 5.560 1.874 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.292 6.058 3.476 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.564 6.209 3.080 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.229 2.730 0.650 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.449 2.549 1.213 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.855 4.141 0.687 1.00 0.00 H new ATOM 135 N THR A 32 -2.065 2.216 5.567 1.00 0.00 N ATOM 136 CA THR A 32 -2.455 0.813 5.749 1.00 0.00 C ATOM 137 C THR A 32 -3.052 0.274 4.463 1.00 0.00 C ATOM 138 O THR A 32 -3.749 0.995 3.738 1.00 0.00 O ATOM 139 CB THR A 32 -3.517 0.751 6.855 1.00 0.00 C ATOM 140 OG1 THR A 32 -2.891 1.038 8.086 1.00 0.00 O ATOM 141 CG2 THR A 32 -4.162 -0.636 7.015 1.00 0.00 C ATOM 0 H THR A 32 -2.890 2.815 5.544 1.00 0.00 H new ATOM 0 HA THR A 32 -1.583 0.217 6.016 1.00 0.00 H new ATOM 0 HB THR A 32 -4.293 1.464 6.578 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.524 1.498 8.676 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.902 -0.603 7.815 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.648 -0.921 6.082 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.393 -1.368 7.262 1.00 0.00 H new ATOM 149 N MET A 33 -2.798 -1.014 4.189 1.00 0.00 N ATOM 150 CA MET A 33 -3.303 -1.741 3.038 1.00 0.00 C ATOM 151 C MET A 33 -3.656 -3.184 3.408 1.00 0.00 C ATOM 152 O MET A 33 -2.838 -3.910 3.974 1.00 0.00 O ATOM 153 CB MET A 33 -2.273 -1.744 1.890 1.00 0.00 C ATOM 154 CG MET A 33 -1.678 -0.366 1.564 1.00 0.00 C ATOM 155 SD MET A 33 -1.125 -0.019 -0.130 1.00 0.00 S ATOM 156 CE MET A 33 -0.553 -1.640 -0.657 1.00 0.00 C ATOM 0 H MET A 33 -2.212 -1.591 4.792 1.00 0.00 H new ATOM 0 HA MET A 33 -4.206 -1.230 2.704 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.461 -2.424 2.149 1.00 0.00 H new ATOM 0 HB3 MET A 33 -2.748 -2.142 0.993 1.00 0.00 H new ATOM 0 HG2 MET A 33 -2.424 0.384 1.826 1.00 0.00 H new ATOM 0 HG3 MET A 33 -0.826 -0.212 2.226 1.00 0.00 H new ATOM 0 HE1 MET A 33 0.150 -1.527 -1.482 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.058 -2.140 0.176 1.00 0.00 H new ATOM 0 HE3 MET A 33 -1.404 -2.237 -0.984 1.00 0.00 H new ATOM 166 N LYS A 34 -4.885 -3.600 3.092 1.00 0.00 N ATOM 167 CA LYS A 34 -5.404 -4.936 3.426 1.00 0.00 C ATOM 168 C LYS A 34 -6.648 -5.314 2.691 1.00 0.00 C ATOM 169 O LYS A 34 -7.286 -4.436 2.140 1.00 0.00 O ATOM 170 CB LYS A 34 -5.894 -5.027 4.889 1.00 0.00 C ATOM 171 CG LYS A 34 -6.135 -3.785 5.743 1.00 0.00 C ATOM 172 CD LYS A 34 -7.552 -3.297 5.412 1.00 0.00 C ATOM 173 CE LYS A 34 -7.743 -1.866 5.877 1.00 0.00 C ATOM 174 NZ LYS A 34 -7.442 -0.947 4.772 1.00 0.00 N ATOM 0 H LYS A 34 -5.556 -3.017 2.593 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.553 -5.572 3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.832 -5.583 4.872 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.170 -5.640 5.425 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.043 -4.020 6.803 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.397 -3.013 5.522 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.724 -3.363 4.338 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.287 -3.943 5.892 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.767 -1.717 6.219 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.091 -1.658 6.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.616 -0.365 5.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.235 -1.494 3.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.261 -0.330 4.601 1.00 0.00 H new ATOM 188 N ASN A 35 -7.015 -6.582 2.863 1.00 0.00 N ATOM 189 CA ASN A 35 -8.351 -7.130 2.717 1.00 0.00 C ATOM 190 C ASN A 35 -8.328 -8.680 2.782 1.00 0.00 C ATOM 191 O ASN A 35 -7.290 -9.300 2.559 1.00 0.00 O ATOM 192 CB ASN A 35 -9.129 -6.458 1.588 1.00 0.00 C ATOM 193 CG ASN A 35 -10.411 -7.144 1.154 1.00 0.00 C ATOM 194 OD1 ASN A 35 -11.339 -7.327 1.925 1.00 0.00 O ATOM 195 ND2 ASN A 35 -10.472 -7.567 -0.079 1.00 0.00 N ATOM 0 H ASN A 35 -6.337 -7.298 3.126 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.965 -6.868 3.578 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.373 -5.442 1.898 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.473 -6.378 0.721 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.303 -8.058 -0.409 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.689 -7.407 -0.712 1.00 0.00 H new ATOM 202 N LEU A 36 -9.461 -9.304 3.124 1.00 0.00 N ATOM 203 CA LEU A 36 -9.590 -10.727 3.486 1.00 0.00 C ATOM 204 C LEU A 36 -9.041 -11.822 2.529 1.00 0.00 C ATOM 205 O LEU A 36 -8.535 -12.817 3.060 1.00 0.00 O ATOM 206 CB LEU A 36 -11.062 -11.022 3.836 1.00 0.00 C ATOM 207 CG LEU A 36 -11.655 -10.178 4.977 1.00 0.00 C ATOM 208 CD1 LEU A 36 -13.106 -10.595 5.209 1.00 0.00 C ATOM 209 CD2 LEU A 36 -10.891 -10.342 6.300 1.00 0.00 C ATOM 0 H LEU A 36 -10.354 -8.813 3.159 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.906 -10.820 4.330 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.667 -10.869 2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -11.149 -12.075 4.104 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.579 -9.134 4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.531 -10.000 6.017 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -13.681 -10.433 4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -13.143 -11.651 5.478 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.355 -9.723 7.067 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.920 -11.387 6.610 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.855 -10.033 6.162 1.00 0.00 H new ATOM 221 N PRO A 37 -9.108 -11.732 1.181 1.00 0.00 N ATOM 222 CA PRO A 37 -8.661 -12.801 0.274 1.00 0.00 C ATOM 223 C PRO A 37 -7.130 -12.778 0.049 1.00 0.00 C ATOM 224 O PRO A 37 -6.646 -12.943 -1.061 1.00 0.00 O ATOM 225 CB PRO A 37 -9.481 -12.569 -1.000 1.00 0.00 C ATOM 226 CG PRO A 37 -9.587 -11.049 -1.059 1.00 0.00 C ATOM 227 CD PRO A 37 -9.706 -10.656 0.405 1.00 0.00 C ATOM 0 HA PRO A 37 -8.829 -13.800 0.677 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.984 -12.975 -1.881 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.462 -13.041 -0.942 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.710 -10.601 -1.527 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.455 -10.727 -1.635 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.194 -9.713 0.594 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.750 -10.513 0.683 1.00 0.00 H new ATOM 235 N GLU A 38 -6.353 -12.521 1.107 1.00 0.00 N ATOM 236 CA GLU A 38 -4.916 -12.213 1.044 1.00 0.00 C ATOM 237 C GLU A 38 -4.127 -12.664 2.287 1.00 0.00 C ATOM 238 O GLU A 38 -4.678 -13.144 3.278 1.00 0.00 O ATOM 239 CB GLU A 38 -4.785 -10.690 0.830 1.00 0.00 C ATOM 240 CG GLU A 38 -3.648 -10.311 -0.105 1.00 0.00 C ATOM 241 CD GLU A 38 -3.787 -8.847 -0.551 1.00 0.00 C ATOM 242 OE1 GLU A 38 -4.701 -8.565 -1.357 1.00 0.00 O ATOM 243 OE2 GLU A 38 -2.992 -8.002 -0.073 1.00 0.00 O ATOM 0 H GLU A 38 -6.716 -12.521 2.060 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.476 -12.774 0.220 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.722 -10.305 0.427 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.630 -10.206 1.794 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.692 -10.455 0.398 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.652 -10.965 -0.977 1.00 0.00 H new ATOM 250 N GLY A 39 -2.809 -12.490 2.205 1.00 0.00 N ATOM 251 CA GLY A 39 -1.821 -12.740 3.258 1.00 0.00 C ATOM 252 C GLY A 39 -0.436 -12.284 2.787 1.00 0.00 C ATOM 253 O GLY A 39 0.540 -13.028 2.891 1.00 0.00 O ATOM 0 H GLY A 39 -2.373 -12.149 1.348 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.101 -12.206 4.166 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.800 -13.801 3.506 1.00 0.00 H new ATOM 257 N CYS A 40 -0.391 -11.108 2.145 1.00 0.00 N ATOM 258 CA CYS A 40 0.756 -10.592 1.397 1.00 0.00 C ATOM 259 C CYS A 40 2.045 -10.380 2.225 1.00 0.00 C ATOM 260 O CYS A 40 2.028 -10.288 3.464 1.00 0.00 O ATOM 261 CB CYS A 40 0.343 -9.292 0.678 1.00 0.00 C ATOM 262 SG CYS A 40 -0.391 -8.091 1.830 1.00 0.00 S ATOM 0 H CYS A 40 -1.185 -10.468 2.134 1.00 0.00 H new ATOM 0 HA CYS A 40 1.026 -11.367 0.680 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.215 -8.849 0.197 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.372 -9.524 -0.111 1.00 0.00 H new ATOM 0 HG CYS A 40 -1.569 -7.745 1.404 1.00 0.00 H new ATOM 268 N SER A 41 3.155 -10.210 1.508 1.00 0.00 N ATOM 269 CA SER A 41 4.482 -9.791 1.985 1.00 0.00 C ATOM 270 C SER A 41 4.975 -8.563 1.204 1.00 0.00 C ATOM 271 O SER A 41 4.352 -8.150 0.215 1.00 0.00 O ATOM 272 CB SER A 41 5.484 -10.943 1.827 1.00 0.00 C ATOM 273 OG SER A 41 5.085 -12.102 2.537 1.00 0.00 O ATOM 0 H SER A 41 3.155 -10.373 0.501 1.00 0.00 H new ATOM 0 HA SER A 41 4.401 -9.525 3.039 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.592 -11.186 0.770 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.463 -10.621 2.181 1.00 0.00 H new ATOM 0 HG SER A 41 5.465 -12.079 3.440 1.00 0.00 H new ATOM 279 N TRP A 42 6.102 -7.952 1.599 1.00 0.00 N ATOM 280 CA TRP A 42 6.575 -6.743 0.907 1.00 0.00 C ATOM 281 C TRP A 42 6.880 -6.972 -0.562 1.00 0.00 C ATOM 282 O TRP A 42 6.537 -6.130 -1.388 1.00 0.00 O ATOM 283 CB TRP A 42 7.745 -6.055 1.614 1.00 0.00 C ATOM 284 CG TRP A 42 8.167 -4.720 1.044 1.00 0.00 C ATOM 285 CD1 TRP A 42 9.438 -4.259 0.993 1.00 0.00 C ATOM 286 CD2 TRP A 42 7.362 -3.682 0.380 1.00 0.00 C ATOM 287 NE1 TRP A 42 9.481 -3.040 0.344 1.00 0.00 N ATOM 288 CE2 TRP A 42 8.233 -2.650 -0.091 1.00 0.00 C ATOM 289 CE3 TRP A 42 5.989 -3.513 0.090 1.00 0.00 C ATOM 290 CZ2 TRP A 42 7.769 -1.553 -0.842 1.00 0.00 C ATOM 291 CZ3 TRP A 42 5.521 -2.450 -0.681 1.00 0.00 C ATOM 292 CH2 TRP A 42 6.401 -1.466 -1.147 1.00 0.00 C ATOM 0 H TRP A 42 6.689 -8.264 2.372 1.00 0.00 H new ATOM 0 HA TRP A 42 5.730 -6.056 0.954 1.00 0.00 H new ATOM 0 HB2 TRP A 42 7.479 -5.913 2.662 1.00 0.00 H new ATOM 0 HB3 TRP A 42 8.604 -6.726 1.591 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.297 -4.771 1.401 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.332 -2.496 0.204 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.280 -4.230 0.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.455 -0.790 -1.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 4.470 -2.385 -0.921 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.029 -0.643 -1.739 1.00 0.00 H new ATOM 303 N GLN A 43 7.403 -8.143 -0.936 1.00 0.00 N ATOM 304 CA GLN A 43 7.598 -8.473 -2.346 1.00 0.00 C ATOM 305 C GLN A 43 6.324 -8.448 -3.194 1.00 0.00 C ATOM 306 O GLN A 43 6.337 -8.091 -4.380 1.00 0.00 O ATOM 307 CB GLN A 43 8.342 -9.811 -2.506 1.00 0.00 C ATOM 308 CG GLN A 43 7.654 -10.990 -1.787 1.00 0.00 C ATOM 309 CD GLN A 43 7.885 -12.323 -2.494 1.00 0.00 C ATOM 310 OE1 GLN A 43 8.993 -12.841 -2.566 1.00 0.00 O ATOM 311 NE2 GLN A 43 6.855 -12.930 -3.052 1.00 0.00 N ATOM 0 H GLN A 43 7.696 -8.872 -0.286 1.00 0.00 H new ATOM 0 HA GLN A 43 8.218 -7.668 -2.740 1.00 0.00 H new ATOM 0 HB2 GLN A 43 8.429 -10.044 -3.567 1.00 0.00 H new ATOM 0 HB3 GLN A 43 9.355 -9.702 -2.120 1.00 0.00 H new ATOM 0 HG2 GLN A 43 8.027 -11.055 -0.765 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.583 -10.797 -1.724 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.927 -12.511 -3.000 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.987 -13.819 -3.535 1.00 0.00 H new ATOM 320 N ASP A 44 5.208 -8.774 -2.564 1.00 0.00 N ATOM 321 CA ASP A 44 3.932 -8.915 -3.214 1.00 0.00 C ATOM 322 C ASP A 44 3.284 -7.543 -3.373 1.00 0.00 C ATOM 323 O ASP A 44 2.764 -7.198 -4.440 1.00 0.00 O ATOM 324 CB ASP A 44 3.066 -9.788 -2.323 1.00 0.00 C ATOM 325 CG ASP A 44 3.573 -11.219 -2.100 1.00 0.00 C ATOM 326 OD1 ASP A 44 4.217 -11.815 -2.995 1.00 0.00 O ATOM 327 OD2 ASP A 44 3.318 -11.744 -0.992 1.00 0.00 O ATOM 0 H ASP A 44 5.172 -8.951 -1.560 1.00 0.00 H new ATOM 0 HA ASP A 44 4.046 -9.362 -4.202 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.968 -9.301 -1.353 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.067 -9.839 -2.756 1.00 0.00 H new ATOM 332 N LEU A 45 3.363 -6.730 -2.323 1.00 0.00 N ATOM 333 CA LEU A 45 2.899 -5.359 -2.374 1.00 0.00 C ATOM 334 C LEU A 45 3.790 -4.455 -3.245 1.00 0.00 C ATOM 335 O LEU A 45 3.245 -3.554 -3.877 1.00 0.00 O ATOM 336 CB LEU A 45 2.724 -4.883 -0.944 1.00 0.00 C ATOM 337 CG LEU A 45 1.435 -5.413 -0.285 1.00 0.00 C ATOM 338 CD1 LEU A 45 1.401 -4.852 1.119 1.00 0.00 C ATOM 339 CD2 LEU A 45 0.155 -4.987 -1.015 1.00 0.00 C ATOM 0 H LEU A 45 3.749 -7.007 -1.421 1.00 0.00 H new ATOM 0 HA LEU A 45 1.935 -5.303 -2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.584 -5.200 -0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.711 -3.793 -0.929 1.00 0.00 H new ATOM 0 HG LEU A 45 1.458 -6.502 -0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.503 -5.201 1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.282 -5.188 1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.394 -3.763 1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.713 -5.395 -0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.090 -3.899 -1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.177 -5.364 -2.038 1.00 0.00 H new ATOM 351 N LYS A 46 5.106 -4.719 -3.360 1.00 0.00 N ATOM 352 CA LYS A 46 6.016 -4.144 -4.378 1.00 0.00 C ATOM 353 C LYS A 46 5.438 -4.460 -5.738 1.00 0.00 C ATOM 354 O LYS A 46 5.077 -3.546 -6.468 1.00 0.00 O ATOM 355 CB LYS A 46 7.445 -4.733 -4.260 1.00 0.00 C ATOM 356 CG LYS A 46 8.433 -3.801 -3.541 1.00 0.00 C ATOM 357 CD LYS A 46 8.966 -2.715 -4.494 1.00 0.00 C ATOM 358 CE LYS A 46 9.755 -1.622 -3.763 1.00 0.00 C ATOM 359 NZ LYS A 46 10.415 -0.675 -4.702 1.00 0.00 N ATOM 0 H LYS A 46 5.584 -5.360 -2.727 1.00 0.00 H new ATOM 0 HA LYS A 46 6.098 -3.068 -4.227 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.396 -5.681 -3.724 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.824 -4.951 -5.259 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.941 -3.332 -2.689 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.266 -4.383 -3.147 1.00 0.00 H new ATOM 0 HD2 LYS A 46 9.606 -3.179 -5.245 1.00 0.00 H new ATOM 0 HD3 LYS A 46 8.129 -2.260 -5.025 1.00 0.00 H new ATOM 0 HE2 LYS A 46 9.083 -1.069 -3.107 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.510 -2.086 -3.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.935 0.045 -4.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.077 -1.196 -5.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.694 -0.211 -5.291 1.00 0.00 H new ATOM 373 N ASP A 47 5.288 -5.739 -6.050 1.00 0.00 N ATOM 374 CA ASP A 47 4.767 -6.209 -7.335 1.00 0.00 C ATOM 375 C ASP A 47 3.477 -5.532 -7.729 1.00 0.00 C ATOM 376 O ASP A 47 3.455 -4.868 -8.769 1.00 0.00 O ATOM 377 CB ASP A 47 4.613 -7.734 -7.280 1.00 0.00 C ATOM 378 CG ASP A 47 3.936 -8.388 -8.482 1.00 0.00 C ATOM 379 OD1 ASP A 47 4.191 -8.001 -9.648 1.00 0.00 O ATOM 380 OD2 ASP A 47 3.135 -9.329 -8.288 1.00 0.00 O ATOM 0 H ASP A 47 5.528 -6.496 -5.410 1.00 0.00 H new ATOM 0 HA ASP A 47 5.482 -5.941 -8.113 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.603 -8.174 -7.163 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.044 -7.989 -6.386 1.00 0.00 H new ATOM 385 N LEU A 48 2.450 -5.596 -6.881 1.00 0.00 N ATOM 386 CA LEU A 48 1.233 -4.891 -7.226 1.00 0.00 C ATOM 387 C LEU A 48 1.493 -3.403 -7.391 1.00 0.00 C ATOM 388 O LEU A 48 1.061 -2.824 -8.377 1.00 0.00 O ATOM 389 CB LEU A 48 0.077 -5.155 -6.259 1.00 0.00 C ATOM 390 CG LEU A 48 -1.173 -4.316 -6.613 1.00 0.00 C ATOM 391 CD1 LEU A 48 -2.402 -4.871 -5.947 1.00 0.00 C ATOM 392 CD2 LEU A 48 -1.118 -2.879 -6.152 1.00 0.00 C ATOM 0 H LEU A 48 2.439 -6.103 -5.996 1.00 0.00 H new ATOM 0 HA LEU A 48 0.910 -5.294 -8.186 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.179 -6.214 -6.279 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.394 -4.923 -5.242 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.204 -4.361 -7.702 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.266 -4.262 -6.213 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.564 -5.896 -6.279 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.267 -4.857 -4.865 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.036 -2.368 -6.444 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.015 -2.849 -5.067 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.264 -2.382 -6.612 1.00 0.00 H new ATOM 404 N ALA A 49 2.172 -2.749 -6.453 1.00 0.00 N ATOM 405 CA ALA A 49 2.436 -1.329 -6.593 1.00 0.00 C ATOM 406 C ALA A 49 3.062 -0.989 -7.949 1.00 0.00 C ATOM 407 O ALA A 49 2.666 -0.009 -8.581 1.00 0.00 O ATOM 408 CB ALA A 49 3.330 -0.897 -5.452 1.00 0.00 C ATOM 0 H ALA A 49 2.542 -3.175 -5.603 1.00 0.00 H new ATOM 0 HA ALA A 49 1.492 -0.785 -6.553 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.541 0.169 -5.539 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.829 -1.092 -4.504 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.265 -1.456 -5.490 1.00 0.00 H new ATOM 414 N ARG A 50 3.956 -1.850 -8.450 1.00 0.00 N ATOM 415 CA ARG A 50 4.647 -1.636 -9.721 1.00 0.00 C ATOM 416 C ARG A 50 3.675 -1.848 -10.897 1.00 0.00 C ATOM 417 O ARG A 50 3.822 -1.205 -11.940 1.00 0.00 O ATOM 418 CB ARG A 50 5.901 -2.530 -9.839 1.00 0.00 C ATOM 419 CG ARG A 50 6.898 -2.504 -8.650 1.00 0.00 C ATOM 420 CD ARG A 50 6.872 -1.332 -7.650 1.00 0.00 C ATOM 421 NE ARG A 50 7.805 -0.217 -7.938 1.00 0.00 N ATOM 422 CZ ARG A 50 8.004 0.497 -9.035 1.00 0.00 C ATOM 423 NH1 ARG A 50 7.456 0.252 -10.192 1.00 0.00 N ATOM 424 NH2 ARG A 50 8.811 1.510 -8.961 1.00 0.00 N ATOM 0 H ARG A 50 4.219 -2.717 -7.981 1.00 0.00 H new ATOM 0 HA ARG A 50 4.996 -0.604 -9.756 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.571 -3.559 -9.982 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.441 -2.240 -10.740 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.747 -3.421 -8.080 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.903 -2.551 -9.068 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.859 -0.932 -7.614 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.097 -1.721 -6.657 1.00 0.00 H new ATOM 0 HE ARG A 50 8.399 0.047 -7.152 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.822 -0.540 -10.298 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.662 0.852 -10.991 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.269 1.734 -8.077 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.988 2.082 -9.786 1.00 0.00 H new ATOM 438 N GLU A 51 2.655 -2.693 -10.712 1.00 0.00 N ATOM 439 CA GLU A 51 1.488 -2.833 -11.615 1.00 0.00 C ATOM 440 C GLU A 51 0.672 -1.551 -11.750 1.00 0.00 C ATOM 441 O GLU A 51 0.219 -1.164 -12.831 1.00 0.00 O ATOM 442 CB GLU A 51 0.476 -3.906 -11.145 1.00 0.00 C ATOM 443 CG GLU A 51 1.059 -5.312 -11.072 1.00 0.00 C ATOM 444 CD GLU A 51 1.113 -6.004 -12.447 1.00 0.00 C ATOM 445 OE1 GLU A 51 1.824 -5.529 -13.363 1.00 0.00 O ATOM 446 OE2 GLU A 51 0.467 -7.068 -12.603 1.00 0.00 O ATOM 0 H GLU A 51 2.609 -3.320 -9.909 1.00 0.00 H new ATOM 0 HA GLU A 51 1.949 -3.111 -12.563 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.097 -3.628 -10.161 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.376 -3.911 -11.825 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.065 -5.263 -10.655 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.460 -5.915 -10.390 1.00 0.00 H new ATOM 453 N ASN A 52 0.469 -0.928 -10.604 1.00 0.00 N ATOM 454 CA ASN A 52 -0.494 0.131 -10.361 1.00 0.00 C ATOM 455 C ASN A 52 0.023 1.566 -10.573 1.00 0.00 C ATOM 456 O ASN A 52 -0.783 2.455 -10.850 1.00 0.00 O ATOM 457 CB ASN A 52 -0.954 -0.131 -8.932 1.00 0.00 C ATOM 458 CG ASN A 52 -2.288 -0.846 -8.894 1.00 0.00 C ATOM 459 OD1 ASN A 52 -3.349 -0.251 -8.843 1.00 0.00 O ATOM 460 ND2 ASN A 52 -2.270 -2.153 -8.941 1.00 0.00 N ATOM 0 H ASN A 52 1.004 -1.162 -9.768 1.00 0.00 H new ATOM 0 HA ASN A 52 -1.301 0.096 -11.093 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.206 -0.730 -8.413 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.033 0.815 -8.396 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.146 -2.676 -8.935 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.380 -2.650 -8.984 1.00 0.00 H new ATOM 467 N SER A 53 1.340 1.761 -10.446 1.00 0.00 N ATOM 468 CA SER A 53 2.193 2.942 -10.709 1.00 0.00 C ATOM 469 C SER A 53 2.870 3.456 -9.432 1.00 0.00 C ATOM 470 O SER A 53 3.575 4.468 -9.457 1.00 0.00 O ATOM 471 CB SER A 53 1.502 4.112 -11.436 1.00 0.00 C ATOM 472 OG SER A 53 1.022 3.743 -12.718 1.00 0.00 O ATOM 0 H SER A 53 1.918 0.991 -10.110 1.00 0.00 H new ATOM 0 HA SER A 53 2.943 2.561 -11.402 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.671 4.473 -10.830 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.205 4.939 -11.538 1.00 0.00 H new ATOM 0 HG SER A 53 0.181 3.249 -12.623 1.00 0.00 H new ATOM 478 N LEU A 54 2.659 2.782 -8.289 1.00 0.00 N ATOM 479 CA LEU A 54 3.276 3.140 -7.017 1.00 0.00 C ATOM 480 C LEU A 54 4.753 2.748 -6.953 1.00 0.00 C ATOM 481 O LEU A 54 5.272 1.852 -7.622 1.00 0.00 O ATOM 482 CB LEU A 54 2.582 2.457 -5.805 1.00 0.00 C ATOM 483 CG LEU A 54 1.736 3.249 -4.790 1.00 0.00 C ATOM 484 CD1 LEU A 54 1.947 2.637 -3.386 1.00 0.00 C ATOM 485 CD2 LEU A 54 2.100 4.728 -4.724 1.00 0.00 C ATOM 0 H LEU A 54 2.048 1.967 -8.230 1.00 0.00 H new ATOM 0 HA LEU A 54 3.165 4.223 -6.959 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.936 1.679 -6.212 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.366 1.956 -5.237 1.00 0.00 H new ATOM 0 HG LEU A 54 0.699 3.182 -5.118 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.354 3.188 -2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.635 1.593 -3.394 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.002 2.698 -3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.466 5.226 -3.990 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.145 4.833 -4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.949 5.184 -5.703 1.00 0.00 H new ATOM 497 N GLU A 55 5.348 3.414 -5.991 1.00 0.00 N ATOM 498 CA GLU A 55 6.632 3.260 -5.359 1.00 0.00 C ATOM 499 C GLU A 55 6.562 4.111 -4.078 1.00 0.00 C ATOM 500 O GLU A 55 6.034 5.221 -4.134 1.00 0.00 O ATOM 501 CB GLU A 55 7.677 3.870 -6.274 1.00 0.00 C ATOM 502 CG GLU A 55 9.071 3.847 -5.650 1.00 0.00 C ATOM 503 CD GLU A 55 9.676 2.430 -5.494 1.00 0.00 C ATOM 504 OE1 GLU A 55 9.272 1.488 -6.219 1.00 0.00 O ATOM 505 OE2 GLU A 55 10.554 2.218 -4.627 1.00 0.00 O ATOM 0 H GLU A 55 4.857 4.203 -5.570 1.00 0.00 H new ATOM 0 HA GLU A 55 6.876 2.218 -5.153 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.694 3.325 -7.218 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.400 4.899 -6.504 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.741 4.450 -6.263 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.025 4.320 -4.669 1.00 0.00 H new ATOM 512 N THR A 56 7.120 3.663 -2.960 1.00 0.00 N ATOM 513 CA THR A 56 7.237 4.482 -1.730 1.00 0.00 C ATOM 514 C THR A 56 8.648 4.349 -1.117 1.00 0.00 C ATOM 515 O THR A 56 9.573 3.868 -1.777 1.00 0.00 O ATOM 516 CB THR A 56 6.159 4.094 -0.701 1.00 0.00 C ATOM 517 OG1 THR A 56 6.515 2.865 -0.114 1.00 0.00 O ATOM 518 CG2 THR A 56 4.760 3.952 -1.296 1.00 0.00 C ATOM 0 H THR A 56 7.508 2.724 -2.867 1.00 0.00 H new ATOM 0 HA THR A 56 7.079 5.525 -2.006 1.00 0.00 H new ATOM 0 HB THR A 56 6.117 4.905 0.027 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.372 2.911 0.854 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.057 3.677 -0.510 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.456 4.900 -1.740 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.768 3.177 -2.063 1.00 0.00 H new ATOM 526 N THR A 57 8.854 4.765 0.131 1.00 0.00 N ATOM 527 CA THR A 57 10.101 4.511 0.871 1.00 0.00 C ATOM 528 C THR A 57 10.214 3.025 1.182 1.00 0.00 C ATOM 529 O THR A 57 11.273 2.413 1.017 1.00 0.00 O ATOM 530 CB THR A 57 10.117 5.225 2.244 1.00 0.00 C ATOM 531 OG1 THR A 57 9.661 6.553 2.147 1.00 0.00 O ATOM 532 CG2 THR A 57 11.504 5.265 2.878 1.00 0.00 C ATOM 0 H THR A 57 8.161 5.290 0.665 1.00 0.00 H new ATOM 0 HA THR A 57 10.914 4.876 0.243 1.00 0.00 H new ATOM 0 HB THR A 57 9.449 4.635 2.872 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.683 6.972 3.033 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.450 5.778 3.838 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.864 4.247 3.030 1.00 0.00 H new ATOM 0 HG23 THR A 57 12.190 5.798 2.220 1.00 0.00 H new ATOM 540 N PHE A 58 9.101 2.468 1.675 1.00 0.00 N ATOM 541 CA PHE A 58 9.015 1.164 2.315 1.00 0.00 C ATOM 542 C PHE A 58 7.576 0.819 2.697 1.00 0.00 C ATOM 543 O PHE A 58 6.707 1.696 2.710 1.00 0.00 O ATOM 544 CB PHE A 58 9.868 1.234 3.598 1.00 0.00 C ATOM 545 CG PHE A 58 9.172 1.324 4.946 1.00 0.00 C ATOM 546 CD1 PHE A 58 8.668 2.556 5.402 1.00 0.00 C ATOM 547 CD2 PHE A 58 9.053 0.177 5.753 1.00 0.00 C ATOM 548 CE1 PHE A 58 8.026 2.633 6.655 1.00 0.00 C ATOM 549 CE2 PHE A 58 8.406 0.254 6.997 1.00 0.00 C ATOM 550 CZ PHE A 58 7.886 1.480 7.446 1.00 0.00 C ATOM 0 H PHE A 58 8.199 2.942 1.633 1.00 0.00 H new ATOM 0 HA PHE A 58 9.368 0.396 1.626 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.506 0.351 3.616 1.00 0.00 H new ATOM 0 HB3 PHE A 58 10.524 2.100 3.509 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.773 3.442 4.793 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.460 -0.764 5.415 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.642 3.579 7.007 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.308 -0.630 7.609 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.379 1.536 8.398 1.00 0.00 H new ATOM 560 N SER A 59 7.371 -0.431 3.119 1.00 0.00 N ATOM 561 CA SER A 59 6.158 -0.879 3.800 1.00 0.00 C ATOM 562 C SER A 59 6.465 -1.890 4.897 1.00 0.00 C ATOM 563 O SER A 59 7.309 -2.779 4.743 1.00 0.00 O ATOM 564 CB SER A 59 5.204 -1.531 2.820 1.00 0.00 C ATOM 565 OG SER A 59 4.102 -2.128 3.465 1.00 0.00 O ATOM 0 H SER A 59 8.059 -1.174 2.993 1.00 0.00 H new ATOM 0 HA SER A 59 5.705 0.008 4.242 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.847 -0.783 2.112 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.738 -2.286 2.244 1.00 0.00 H new ATOM 0 HG SER A 59 3.512 -2.535 2.796 1.00 0.00 H new ATOM 571 N SER A 60 5.749 -1.762 6.016 1.00 0.00 N ATOM 572 CA SER A 60 5.675 -2.777 7.063 1.00 0.00 C ATOM 573 C SER A 60 4.687 -3.854 6.598 1.00 0.00 C ATOM 574 O SER A 60 3.485 -3.592 6.529 1.00 0.00 O ATOM 575 CB SER A 60 5.176 -2.155 8.370 1.00 0.00 C ATOM 576 OG SER A 60 6.205 -1.411 9.002 1.00 0.00 O ATOM 0 H SER A 60 5.194 -0.932 6.222 1.00 0.00 H new ATOM 0 HA SER A 60 6.661 -3.205 7.242 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.325 -1.505 8.166 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.825 -2.940 9.040 1.00 0.00 H new ATOM 0 HG SER A 60 6.602 -0.788 8.357 1.00 0.00 H new ATOM 582 N VAL A 61 5.184 -5.053 6.275 1.00 0.00 N ATOM 583 CA VAL A 61 4.396 -6.249 5.891 1.00 0.00 C ATOM 584 C VAL A 61 4.973 -7.486 6.579 1.00 0.00 C ATOM 585 O VAL A 61 6.066 -7.413 7.137 1.00 0.00 O ATOM 586 CB VAL A 61 4.355 -6.505 4.358 1.00 0.00 C ATOM 587 CG1 VAL A 61 3.018 -7.107 3.895 1.00 0.00 C ATOM 588 CG2 VAL A 61 4.543 -5.254 3.516 1.00 0.00 C ATOM 0 H VAL A 61 6.188 -5.233 6.271 1.00 0.00 H new ATOM 0 HA VAL A 61 3.373 -6.055 6.212 1.00 0.00 H new ATOM 0 HB VAL A 61 5.186 -7.194 4.207 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.044 -7.265 2.817 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.855 -8.060 4.398 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.206 -6.423 4.142 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.502 -5.517 2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.751 -4.540 3.743 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.511 -4.806 3.741 1.00 0.00 H new ATOM 598 N ASN A 62 4.244 -8.609 6.509 1.00 0.00 N ATOM 599 CA ASN A 62 4.508 -9.932 7.113 1.00 0.00 C ATOM 600 C ASN A 62 3.951 -10.048 8.554 1.00 0.00 C ATOM 601 O ASN A 62 3.981 -11.129 9.145 1.00 0.00 O ATOM 602 CB ASN A 62 5.994 -10.345 7.040 1.00 0.00 C ATOM 603 CG ASN A 62 6.539 -10.447 5.621 1.00 0.00 C ATOM 604 OD1 ASN A 62 6.384 -11.453 4.952 1.00 0.00 O ATOM 605 ND2 ASN A 62 7.213 -9.430 5.136 1.00 0.00 N ATOM 0 H ASN A 62 3.372 -8.620 5.980 1.00 0.00 H new ATOM 0 HA ASN A 62 3.959 -10.647 6.500 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.590 -9.621 7.596 1.00 0.00 H new ATOM 0 HB3 ASN A 62 6.118 -11.308 7.536 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.608 -9.481 4.197 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.341 -8.589 5.698 1.00 0.00 H new ATOM 612 N THR A 63 3.416 -8.954 9.105 1.00 0.00 N ATOM 613 CA THR A 63 2.697 -8.887 10.389 1.00 0.00 C ATOM 614 C THR A 63 1.573 -9.927 10.457 1.00 0.00 C ATOM 615 O THR A 63 0.746 -9.994 9.547 1.00 0.00 O ATOM 616 CB THR A 63 2.087 -7.481 10.567 1.00 0.00 C ATOM 617 OG1 THR A 63 3.074 -6.492 10.333 1.00 0.00 O ATOM 618 CG2 THR A 63 1.522 -7.241 11.966 1.00 0.00 C ATOM 0 H THR A 63 3.473 -8.044 8.648 1.00 0.00 H new ATOM 0 HA THR A 63 3.413 -9.096 11.184 1.00 0.00 H new ATOM 0 HB THR A 63 1.270 -7.418 9.848 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.679 -5.602 10.446 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.109 -6.234 12.024 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.736 -7.968 12.171 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.318 -7.349 12.703 1.00 0.00 H new ATOM 626 N ARG A 64 1.494 -10.702 11.555 1.00 0.00 N ATOM 627 CA ARG A 64 0.368 -11.609 11.865 1.00 0.00 C ATOM 628 C ARG A 64 -0.874 -10.821 12.326 1.00 0.00 C ATOM 629 O ARG A 64 -1.288 -10.865 13.486 1.00 0.00 O ATOM 630 CB ARG A 64 0.818 -12.700 12.862 1.00 0.00 C ATOM 631 CG ARG A 64 -0.181 -13.874 12.969 1.00 0.00 C ATOM 632 CD ARG A 64 0.164 -15.106 12.113 1.00 0.00 C ATOM 633 NE ARG A 64 0.241 -14.826 10.662 1.00 0.00 N ATOM 634 CZ ARG A 64 -0.473 -15.368 9.686 1.00 0.00 C ATOM 635 NH1 ARG A 64 -1.461 -16.191 9.892 1.00 0.00 N ATOM 636 NH2 ARG A 64 -0.212 -15.075 8.452 1.00 0.00 N ATOM 0 H ARG A 64 2.224 -10.717 12.267 1.00 0.00 H new ATOM 0 HA ARG A 64 0.062 -12.127 10.956 1.00 0.00 H new ATOM 0 HB2 ARG A 64 1.790 -13.085 12.555 1.00 0.00 H new ATOM 0 HB3 ARG A 64 0.949 -12.252 13.847 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.245 -14.182 14.013 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.170 -13.517 12.681 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.119 -15.511 12.446 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.587 -15.877 12.285 1.00 0.00 H new ATOM 0 HE ARG A 64 0.929 -14.129 10.378 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.720 -16.449 10.844 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -1.976 -16.578 9.101 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.544 -14.427 8.231 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.762 -15.493 7.701 1.00 0.00 H new ATOM 650 N ASP A 65 -1.411 -10.037 11.400 1.00 0.00 N ATOM 651 CA ASP A 65 -2.691 -9.318 11.449 1.00 0.00 C ATOM 652 C ASP A 65 -3.868 -10.329 11.342 1.00 0.00 C ATOM 653 O ASP A 65 -3.792 -11.429 11.899 1.00 0.00 O ATOM 654 CB ASP A 65 -2.650 -8.305 10.289 1.00 0.00 C ATOM 655 CG ASP A 65 -3.554 -7.074 10.516 1.00 0.00 C ATOM 656 OD1 ASP A 65 -4.790 -7.238 10.598 1.00 0.00 O ATOM 657 OD2 ASP A 65 -3.030 -5.937 10.574 1.00 0.00 O ATOM 0 H ASP A 65 -0.926 -9.869 10.518 1.00 0.00 H new ATOM 0 HA ASP A 65 -2.846 -8.788 12.389 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.623 -7.970 10.145 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.954 -8.805 9.369 1.00 0.00 H new ATOM 662 N PHE A 66 -4.948 -10.009 10.615 1.00 0.00 N ATOM 663 CA PHE A 66 -5.979 -10.983 10.222 1.00 0.00 C ATOM 664 C PHE A 66 -5.314 -12.217 9.563 1.00 0.00 C ATOM 665 O PHE A 66 -5.700 -13.358 9.832 1.00 0.00 O ATOM 666 CB PHE A 66 -7.038 -10.309 9.324 1.00 0.00 C ATOM 667 CG PHE A 66 -6.765 -10.420 7.829 1.00 0.00 C ATOM 668 CD1 PHE A 66 -7.179 -11.572 7.134 1.00 0.00 C ATOM 669 CD2 PHE A 66 -6.024 -9.427 7.161 1.00 0.00 C ATOM 670 CE1 PHE A 66 -6.822 -11.748 5.785 1.00 0.00 C ATOM 671 CE2 PHE A 66 -5.681 -9.600 5.811 1.00 0.00 C ATOM 672 CZ PHE A 66 -6.074 -10.761 5.126 1.00 0.00 C ATOM 0 H PHE A 66 -5.133 -9.063 10.281 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.508 -11.343 11.105 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.011 -10.752 9.536 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -7.103 -9.254 9.591 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -7.772 -12.322 7.637 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.720 -8.534 7.686 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.123 -12.641 5.258 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.113 -8.838 5.298 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.800 -10.894 4.090 1.00 0.00 H new ATOM 682 N ASP A 67 -4.273 -11.969 8.750 1.00 0.00 N ATOM 683 CA ASP A 67 -3.314 -12.952 8.239 1.00 0.00 C ATOM 684 C ASP A 67 -2.071 -12.210 7.710 1.00 0.00 C ATOM 685 O ASP A 67 -0.967 -12.407 8.220 1.00 0.00 O ATOM 686 CB ASP A 67 -3.922 -13.853 7.146 1.00 0.00 C ATOM 687 CG ASP A 67 -3.044 -15.102 6.984 1.00 0.00 C ATOM 688 OD1 ASP A 67 -2.050 -15.059 6.223 1.00 0.00 O ATOM 689 OD2 ASP A 67 -3.253 -16.103 7.707 1.00 0.00 O ATOM 0 H ASP A 67 -4.071 -11.026 8.417 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.032 -13.613 9.058 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.938 -14.139 7.416 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.984 -13.311 6.202 1.00 0.00 H new ATOM 694 N GLY A 68 -2.258 -11.267 6.784 1.00 0.00 N ATOM 695 CA GLY A 68 -1.181 -10.418 6.272 1.00 0.00 C ATOM 696 C GLY A 68 -1.685 -9.150 5.588 1.00 0.00 C ATOM 697 O GLY A 68 -2.466 -9.190 4.635 1.00 0.00 O ATOM 0 H GLY A 68 -3.167 -11.070 6.366 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.523 -10.141 7.096 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.582 -10.991 5.564 1.00 0.00 H new ATOM 701 N THR A 69 -1.200 -8.031 6.106 1.00 0.00 N ATOM 702 CA THR A 69 -1.487 -6.634 5.729 1.00 0.00 C ATOM 703 C THR A 69 -0.172 -5.876 5.556 1.00 0.00 C ATOM 704 O THR A 69 0.853 -6.246 6.133 1.00 0.00 O ATOM 705 CB THR A 69 -2.334 -5.954 6.821 1.00 0.00 C ATOM 706 OG1 THR A 69 -1.611 -5.866 8.035 1.00 0.00 O ATOM 707 CG2 THR A 69 -3.594 -6.766 7.102 1.00 0.00 C ATOM 0 H THR A 69 -0.531 -8.070 6.875 1.00 0.00 H new ATOM 0 HA THR A 69 -2.043 -6.624 4.792 1.00 0.00 H new ATOM 0 HB THR A 69 -2.590 -4.959 6.458 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.237 -5.758 8.781 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.181 -6.271 7.876 1.00 0.00 H new ATOM 0 HG22 THR A 69 -4.187 -6.844 6.191 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.316 -7.764 7.440 1.00 0.00 H new ATOM 715 N GLY A 70 -0.199 -4.814 4.745 1.00 0.00 N ATOM 716 CA GLY A 70 0.935 -3.919 4.526 1.00 0.00 C ATOM 717 C GLY A 70 0.666 -2.521 5.059 1.00 0.00 C ATOM 718 O GLY A 70 -0.485 -2.137 5.273 1.00 0.00 O ATOM 0 H GLY A 70 -1.028 -4.549 4.213 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.820 -4.329 5.013 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.154 -3.865 3.460 1.00 0.00 H new ATOM 722 N ALA A 71 1.725 -1.740 5.244 1.00 0.00 N ATOM 723 CA ALA A 71 1.610 -0.348 5.643 1.00 0.00 C ATOM 724 C ALA A 71 2.784 0.500 5.131 1.00 0.00 C ATOM 725 O ALA A 71 3.888 0.453 5.680 1.00 0.00 O ATOM 726 CB ALA A 71 1.439 -0.307 7.168 1.00 0.00 C ATOM 0 H ALA A 71 2.686 -2.058 5.121 1.00 0.00 H new ATOM 0 HA ALA A 71 0.733 0.106 5.181 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.350 0.729 7.496 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.539 -0.855 7.448 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.306 -0.765 7.644 1.00 0.00 H new ATOM 732 N LEU A 72 2.529 1.257 4.059 1.00 0.00 N ATOM 733 CA LEU A 72 3.525 1.967 3.254 1.00 0.00 C ATOM 734 C LEU A 72 3.769 3.372 3.801 1.00 0.00 C ATOM 735 O LEU A 72 2.855 3.970 4.358 1.00 0.00 O ATOM 736 CB LEU A 72 3.027 2.187 1.832 1.00 0.00 C ATOM 737 CG LEU A 72 2.896 1.045 0.821 1.00 0.00 C ATOM 738 CD1 LEU A 72 4.261 0.675 0.263 1.00 0.00 C ATOM 739 CD2 LEU A 72 2.130 -0.159 1.356 1.00 0.00 C ATOM 0 H LEU A 72 1.579 1.397 3.714 1.00 0.00 H new ATOM 0 HA LEU A 72 4.424 1.352 3.282 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.042 2.646 1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.687 2.928 1.381 1.00 0.00 H new ATOM 0 HG LEU A 72 2.282 1.412 -0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.152 -0.138 -0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.698 1.541 -0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.913 0.356 1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.077 -0.928 0.585 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.643 -0.557 2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.121 0.146 1.634 1.00 0.00 H new ATOM 751 N GLU A 73 4.921 3.965 3.511 1.00 0.00 N ATOM 752 CA GLU A 73 5.230 5.364 3.919 1.00 0.00 C ATOM 753 C GLU A 73 6.012 6.178 2.867 1.00 0.00 C ATOM 754 O GLU A 73 6.865 5.639 2.156 1.00 0.00 O ATOM 755 CB GLU A 73 6.069 5.265 5.201 1.00 0.00 C ATOM 756 CG GLU A 73 6.647 6.563 5.788 1.00 0.00 C ATOM 757 CD GLU A 73 5.570 7.483 6.357 1.00 0.00 C ATOM 758 OE1 GLU A 73 4.735 7.990 5.579 1.00 0.00 O ATOM 759 OE2 GLU A 73 5.557 7.692 7.593 1.00 0.00 O ATOM 0 H GLU A 73 5.672 3.510 2.992 1.00 0.00 H new ATOM 0 HA GLU A 73 4.287 5.895 4.053 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.452 4.797 5.968 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.901 4.588 5.004 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.360 6.315 6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.199 7.093 5.012 1.00 0.00 H new ATOM 766 N PHE A 74 5.810 7.504 2.843 1.00 0.00 N ATOM 767 CA PHE A 74 6.633 8.443 2.061 1.00 0.00 C ATOM 768 C PHE A 74 6.783 9.832 2.718 1.00 0.00 C ATOM 769 O PHE A 74 5.868 10.283 3.409 1.00 0.00 O ATOM 770 CB PHE A 74 6.032 8.657 0.664 1.00 0.00 C ATOM 771 CG PHE A 74 7.086 8.860 -0.401 1.00 0.00 C ATOM 772 CD1 PHE A 74 7.953 7.807 -0.712 1.00 0.00 C ATOM 773 CD2 PHE A 74 7.301 10.113 -0.997 1.00 0.00 C ATOM 774 CE1 PHE A 74 9.037 7.987 -1.586 1.00 0.00 C ATOM 775 CE2 PHE A 74 8.382 10.310 -1.878 1.00 0.00 C ATOM 776 CZ PHE A 74 9.254 9.247 -2.170 1.00 0.00 C ATOM 0 H PHE A 74 5.065 7.960 3.370 1.00 0.00 H new ATOM 0 HA PHE A 74 7.618 7.979 2.007 1.00 0.00 H new ATOM 0 HB2 PHE A 74 5.418 7.796 0.402 1.00 0.00 H new ATOM 0 HB3 PHE A 74 5.372 9.524 0.686 1.00 0.00 H new ATOM 0 HD1 PHE A 74 7.785 6.836 -0.271 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.632 10.932 -0.778 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.699 7.163 -1.808 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.541 11.278 -2.329 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.087 9.398 -2.840 1.00 0.00 H new ATOM 786 N PRO A 75 7.862 10.585 2.413 1.00 0.00 N ATOM 787 CA PRO A 75 7.988 11.995 2.789 1.00 0.00 C ATOM 788 C PRO A 75 7.028 12.983 2.082 1.00 0.00 C ATOM 789 O PRO A 75 7.132 14.185 2.339 1.00 0.00 O ATOM 790 CB PRO A 75 9.461 12.356 2.547 1.00 0.00 C ATOM 791 CG PRO A 75 9.905 11.364 1.478 1.00 0.00 C ATOM 792 CD PRO A 75 9.139 10.112 1.885 1.00 0.00 C ATOM 0 HA PRO A 75 7.685 12.102 3.831 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.570 13.386 2.208 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.053 12.256 3.457 1.00 0.00 H new ATOM 0 HG2 PRO A 75 9.641 11.698 0.474 1.00 0.00 H new ATOM 0 HG3 PRO A 75 10.983 11.206 1.488 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.989 9.450 1.032 1.00 0.00 H new ATOM 0 HD3 PRO A 75 9.687 9.544 2.637 1.00 0.00 H new ATOM 800 N SER A 76 6.106 12.534 1.216 1.00 0.00 N ATOM 801 CA SER A 76 5.309 13.402 0.322 1.00 0.00 C ATOM 802 C SER A 76 3.915 12.822 0.069 1.00 0.00 C ATOM 803 O SER A 76 3.773 11.750 -0.515 1.00 0.00 O ATOM 804 CB SER A 76 6.021 13.535 -1.020 1.00 0.00 C ATOM 805 OG SER A 76 7.441 13.610 -0.922 1.00 0.00 O ATOM 0 H SER A 76 5.887 11.543 1.112 1.00 0.00 H new ATOM 0 HA SER A 76 5.204 14.372 0.809 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.756 12.683 -1.646 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.655 14.428 -1.526 1.00 0.00 H new ATOM 0 HG SER A 76 7.828 12.728 -1.101 1.00 0.00 H new ATOM 811 N GLU A 77 2.872 13.529 0.515 1.00 0.00 N ATOM 812 CA GLU A 77 1.468 13.102 0.389 1.00 0.00 C ATOM 813 C GLU A 77 0.966 12.869 -1.040 1.00 0.00 C ATOM 814 O GLU A 77 -0.083 12.260 -1.230 1.00 0.00 O ATOM 815 CB GLU A 77 0.537 14.068 1.130 1.00 0.00 C ATOM 816 CG GLU A 77 0.551 15.504 0.591 1.00 0.00 C ATOM 817 CD GLU A 77 -0.079 16.471 1.609 1.00 0.00 C ATOM 818 OE1 GLU A 77 -1.293 16.360 1.907 1.00 0.00 O ATOM 819 OE2 GLU A 77 0.649 17.304 2.197 1.00 0.00 O ATOM 0 H GLU A 77 2.977 14.430 0.982 1.00 0.00 H new ATOM 0 HA GLU A 77 1.445 12.117 0.855 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.482 13.683 1.077 1.00 0.00 H new ATOM 0 HB3 GLU A 77 0.817 14.086 2.183 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.576 15.808 0.378 1.00 0.00 H new ATOM 0 HG3 GLU A 77 0.003 15.550 -0.350 1.00 0.00 H new ATOM 826 N GLU A 78 1.711 13.291 -2.053 1.00 0.00 N ATOM 827 CA GLU A 78 1.436 12.931 -3.451 1.00 0.00 C ATOM 828 C GLU A 78 1.313 11.407 -3.629 1.00 0.00 C ATOM 829 O GLU A 78 0.328 10.916 -4.191 1.00 0.00 O ATOM 830 CB GLU A 78 2.513 13.531 -4.369 1.00 0.00 C ATOM 831 CG GLU A 78 2.680 15.052 -4.191 1.00 0.00 C ATOM 832 CD GLU A 78 3.845 15.415 -3.257 1.00 0.00 C ATOM 833 OE1 GLU A 78 3.609 15.503 -2.029 1.00 0.00 O ATOM 834 OE2 GLU A 78 4.982 15.618 -3.751 1.00 0.00 O ATOM 0 H GLU A 78 2.526 13.894 -1.936 1.00 0.00 H new ATOM 0 HA GLU A 78 0.473 13.354 -3.735 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.466 13.041 -4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.257 13.319 -5.407 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.844 15.512 -5.166 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.756 15.471 -3.792 1.00 0.00 H new ATOM 841 N ILE A 79 2.269 10.654 -3.073 1.00 0.00 N ATOM 842 CA ILE A 79 2.346 9.186 -3.173 1.00 0.00 C ATOM 843 C ILE A 79 1.239 8.505 -2.342 1.00 0.00 C ATOM 844 O ILE A 79 0.648 7.497 -2.756 1.00 0.00 O ATOM 845 CB ILE A 79 3.765 8.711 -2.763 1.00 0.00 C ATOM 846 CG1 ILE A 79 4.883 9.566 -3.412 1.00 0.00 C ATOM 847 CG2 ILE A 79 3.945 7.218 -3.059 1.00 0.00 C ATOM 848 CD1 ILE A 79 6.164 8.863 -3.889 1.00 0.00 C ATOM 0 H ILE A 79 3.031 11.055 -2.527 1.00 0.00 H new ATOM 0 HA ILE A 79 2.174 8.890 -4.208 1.00 0.00 H new ATOM 0 HB ILE A 79 3.858 8.854 -1.686 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.450 10.082 -4.269 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.174 10.332 -2.693 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.947 6.907 -2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.207 6.644 -2.498 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.809 7.040 -4.126 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.844 9.599 -4.318 1.00 0.00 H new ATOM 0 HD12 ILE A 79 6.646 8.372 -3.043 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.911 8.119 -4.644 1.00 0.00 H new ATOM 860 N LEU A 80 0.899 9.115 -1.197 1.00 0.00 N ATOM 861 CA LEU A 80 -0.228 8.712 -0.360 1.00 0.00 C ATOM 862 C LEU A 80 -1.536 8.759 -1.153 1.00 0.00 C ATOM 863 O LEU A 80 -2.261 7.770 -1.243 1.00 0.00 O ATOM 864 CB LEU A 80 -0.299 9.652 0.858 1.00 0.00 C ATOM 865 CG LEU A 80 -1.655 9.856 1.565 1.00 0.00 C ATOM 866 CD1 LEU A 80 -2.155 8.594 2.243 1.00 0.00 C ATOM 867 CD2 LEU A 80 -1.530 10.914 2.657 1.00 0.00 C ATOM 0 H LEU A 80 1.411 9.915 -0.825 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.083 7.685 -0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.408 9.282 1.601 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.057 10.632 0.539 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.354 10.156 0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.112 8.794 2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.281 7.807 1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.432 8.273 2.993 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.495 11.047 3.147 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.791 10.593 3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.215 11.859 2.214 1.00 0.00 H new ATOM 879 N VAL A 81 -1.826 9.925 -1.744 1.00 0.00 N ATOM 880 CA VAL A 81 -3.109 10.240 -2.391 1.00 0.00 C ATOM 881 C VAL A 81 -3.276 9.421 -3.638 1.00 0.00 C ATOM 882 O VAL A 81 -4.375 8.944 -3.924 1.00 0.00 O ATOM 883 CB VAL A 81 -3.207 11.745 -2.703 1.00 0.00 C ATOM 884 CG1 VAL A 81 -4.379 12.122 -3.618 1.00 0.00 C ATOM 885 CG2 VAL A 81 -3.397 12.528 -1.403 1.00 0.00 C ATOM 0 H VAL A 81 -1.159 10.696 -1.787 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.917 9.988 -1.704 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.278 11.992 -3.217 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.376 13.199 -3.788 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.277 11.604 -4.572 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.317 11.832 -3.146 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.466 13.593 -1.626 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.313 12.200 -0.911 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.548 12.350 -0.744 1.00 0.00 H new ATOM 895 N GLU A 82 -2.166 9.196 -4.335 1.00 0.00 N ATOM 896 CA GLU A 82 -2.076 8.218 -5.365 1.00 0.00 C ATOM 897 C GLU A 82 -2.596 6.872 -4.834 1.00 0.00 C ATOM 898 O GLU A 82 -3.718 6.506 -5.150 1.00 0.00 O ATOM 899 CB GLU A 82 -0.598 8.157 -5.717 1.00 0.00 C ATOM 900 CG GLU A 82 -0.127 8.964 -6.922 1.00 0.00 C ATOM 901 CD GLU A 82 -0.913 8.765 -8.226 1.00 0.00 C ATOM 902 OE1 GLU A 82 -1.066 7.615 -8.695 1.00 0.00 O ATOM 903 OE2 GLU A 82 -1.384 9.768 -8.810 1.00 0.00 O ATOM 0 H GLU A 82 -1.298 9.709 -4.181 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.675 8.458 -6.244 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.031 8.489 -4.847 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.336 7.113 -5.888 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.162 10.021 -6.660 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.918 8.717 -7.112 1.00 0.00 H new ATOM 910 N ALA A 83 -1.880 6.170 -3.951 1.00 0.00 N ATOM 911 CA ALA A 83 -2.329 4.851 -3.450 1.00 0.00 C ATOM 912 C ALA A 83 -3.777 4.830 -2.904 1.00 0.00 C ATOM 913 O ALA A 83 -4.508 3.879 -3.160 1.00 0.00 O ATOM 914 CB ALA A 83 -1.332 4.375 -2.403 1.00 0.00 C ATOM 0 H ALA A 83 -0.990 6.484 -3.565 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.356 4.168 -4.299 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.643 3.403 -2.019 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.344 4.287 -2.855 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.294 5.093 -1.584 1.00 0.00 H new ATOM 920 N LEU A 84 -4.247 5.893 -2.252 1.00 0.00 N ATOM 921 CA LEU A 84 -5.631 6.022 -1.745 1.00 0.00 C ATOM 922 C LEU A 84 -6.663 6.128 -2.867 1.00 0.00 C ATOM 923 O LEU A 84 -7.821 5.760 -2.666 1.00 0.00 O ATOM 924 CB LEU A 84 -5.804 7.271 -0.858 1.00 0.00 C ATOM 925 CG LEU A 84 -5.034 7.376 0.449 1.00 0.00 C ATOM 926 CD1 LEU A 84 -5.888 8.135 1.457 1.00 0.00 C ATOM 927 CD2 LEU A 84 -4.666 6.023 1.018 1.00 0.00 C ATOM 0 H LEU A 84 -3.671 6.711 -2.052 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.801 5.112 -1.169 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.541 8.139 -1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.864 7.358 -0.620 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.101 7.903 0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.349 8.219 2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.104 9.132 1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.823 7.598 1.619 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.118 6.157 1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -5.573 5.450 1.210 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.041 5.486 0.304 1.00 0.00 H new ATOM 939 N GLU A 85 -6.261 6.611 -4.033 1.00 0.00 N ATOM 940 CA GLU A 85 -7.101 6.610 -5.228 1.00 0.00 C ATOM 941 C GLU A 85 -6.769 5.481 -6.227 1.00 0.00 C ATOM 942 O GLU A 85 -7.514 5.293 -7.189 1.00 0.00 O ATOM 943 CB GLU A 85 -6.966 7.957 -5.951 1.00 0.00 C ATOM 944 CG GLU A 85 -7.482 9.171 -5.166 1.00 0.00 C ATOM 945 CD GLU A 85 -7.263 10.495 -5.944 1.00 0.00 C ATOM 946 OE1 GLU A 85 -6.904 10.479 -7.152 1.00 0.00 O ATOM 947 OE2 GLU A 85 -7.497 11.577 -5.352 1.00 0.00 O ATOM 0 H GLU A 85 -5.337 7.018 -4.181 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.120 6.439 -4.880 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.915 8.119 -6.192 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.504 7.900 -6.897 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.544 9.044 -4.957 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.972 9.226 -4.204 1.00 0.00 H new ATOM 954 N ARG A 86 -5.670 4.728 -6.039 1.00 0.00 N ATOM 955 CA ARG A 86 -5.106 3.795 -7.022 1.00 0.00 C ATOM 956 C ARG A 86 -5.226 2.359 -6.541 1.00 0.00 C ATOM 957 O ARG A 86 -5.509 1.481 -7.351 1.00 0.00 O ATOM 958 CB ARG A 86 -3.631 4.190 -7.278 1.00 0.00 C ATOM 959 CG ARG A 86 -3.397 5.079 -8.517 1.00 0.00 C ATOM 960 CD ARG A 86 -4.190 6.384 -8.342 1.00 0.00 C ATOM 961 NE ARG A 86 -3.866 7.502 -9.239 1.00 0.00 N ATOM 962 CZ ARG A 86 -4.606 8.602 -9.224 1.00 0.00 C ATOM 963 NH1 ARG A 86 -5.893 8.579 -9.015 1.00 0.00 N ATOM 964 NH2 ARG A 86 -4.067 9.774 -9.341 1.00 0.00 N ATOM 0 H ARG A 86 -5.136 4.756 -5.170 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.663 3.857 -7.957 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.253 4.712 -6.399 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.041 3.280 -7.386 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.335 5.295 -8.633 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.717 4.560 -9.421 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.248 6.153 -8.462 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.053 6.726 -7.316 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.071 7.432 -9.874 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.368 7.691 -8.855 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.425 9.449 -9.012 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.056 9.862 -9.447 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.653 10.609 -9.327 1.00 0.00 H new ATOM 978 N LEU A 87 -5.064 2.139 -5.239 1.00 0.00 N ATOM 979 CA LEU A 87 -5.043 0.857 -4.568 1.00 0.00 C ATOM 980 C LEU A 87 -6.261 0.644 -3.656 1.00 0.00 C ATOM 981 O LEU A 87 -6.363 -0.392 -3.004 1.00 0.00 O ATOM 982 CB LEU A 87 -3.695 0.690 -3.852 1.00 0.00 C ATOM 983 CG LEU A 87 -2.592 0.237 -4.798 1.00 0.00 C ATOM 984 CD1 LEU A 87 -2.213 1.230 -5.876 1.00 0.00 C ATOM 985 CD2 LEU A 87 -1.340 -0.231 -4.066 1.00 0.00 C ATOM 0 H LEU A 87 -4.935 2.911 -4.585 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.131 0.063 -5.309 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.410 1.636 -3.392 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.801 -0.037 -3.047 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.048 -0.611 -5.309 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.420 0.810 -6.495 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.083 1.443 -6.497 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.863 2.153 -5.414 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.589 -0.542 -4.792 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.945 0.586 -3.462 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.590 -1.072 -3.420 1.00 0.00 H new ATOM 997 N ASN A 88 -7.206 1.590 -3.612 1.00 0.00 N ATOM 998 CA ASN A 88 -8.363 1.478 -2.726 1.00 0.00 C ATOM 999 C ASN A 88 -9.534 0.702 -3.345 1.00 0.00 C ATOM 1000 O ASN A 88 -10.188 1.164 -4.288 1.00 0.00 O ATOM 1001 CB ASN A 88 -8.787 2.849 -2.193 1.00 0.00 C ATOM 1002 CG ASN A 88 -9.720 2.714 -1.016 1.00 0.00 C ATOM 1003 OD1 ASN A 88 -9.683 1.744 -0.266 1.00 0.00 O ATOM 1004 ND2 ASN A 88 -10.573 3.681 -0.797 1.00 0.00 N ATOM 0 H ASN A 88 -7.190 2.438 -4.179 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.043 0.877 -1.875 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.904 3.416 -1.897 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -9.277 3.414 -2.986 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.209 3.629 -0.001 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -10.602 4.487 -1.422 1.00 0.00 H new ATOM 1011 N ASN A 89 -9.805 -0.471 -2.773 1.00 0.00 N ATOM 1012 CA ASN A 89 -10.807 -1.450 -3.194 1.00 0.00 C ATOM 1013 C ASN A 89 -10.637 -1.880 -4.672 1.00 0.00 C ATOM 1014 O ASN A 89 -11.593 -1.931 -5.446 1.00 0.00 O ATOM 1015 CB ASN A 89 -12.190 -0.990 -2.710 1.00 0.00 C ATOM 1016 CG ASN A 89 -13.114 -2.160 -2.421 1.00 0.00 C ATOM 1017 OD1 ASN A 89 -13.989 -2.517 -3.197 1.00 0.00 O ATOM 1018 ND2 ASN A 89 -12.943 -2.790 -1.277 1.00 0.00 N ATOM 0 H ASN A 89 -9.295 -0.784 -1.947 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.660 -2.413 -2.705 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -12.076 -0.388 -1.809 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -12.643 -0.349 -3.466 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -13.542 -3.579 -1.035 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -12.212 -2.488 -0.633 1.00 0.00 H new ATOM 1025 N ILE A 90 -9.382 -2.185 -5.029 1.00 0.00 N ATOM 1026 CA ILE A 90 -8.952 -2.670 -6.358 1.00 0.00 C ATOM 1027 C ILE A 90 -8.534 -4.125 -6.278 1.00 0.00 C ATOM 1028 O ILE A 90 -7.962 -4.561 -5.283 1.00 0.00 O ATOM 1029 CB ILE A 90 -7.842 -1.794 -6.992 1.00 0.00 C ATOM 1030 CG1 ILE A 90 -6.503 -1.739 -6.265 1.00 0.00 C ATOM 1031 CG2 ILE A 90 -8.401 -0.364 -7.123 1.00 0.00 C ATOM 1032 CD1 ILE A 90 -5.506 -2.869 -6.514 1.00 0.00 C ATOM 0 H ILE A 90 -8.603 -2.099 -4.377 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.812 -2.588 -7.023 1.00 0.00 H new ATOM 0 HB ILE A 90 -7.603 -2.268 -7.944 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.017 -0.800 -6.530 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.705 -1.702 -5.195 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.645 0.283 -7.567 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.286 -0.376 -7.759 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.668 0.014 -6.136 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -4.603 -2.693 -5.930 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.951 -3.819 -6.217 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.252 -2.903 -7.573 1.00 0.00 H new ATOM 1044 N GLU A 91 -8.832 -4.881 -7.329 1.00 0.00 N ATOM 1045 CA GLU A 91 -8.409 -6.270 -7.462 1.00 0.00 C ATOM 1046 C GLU A 91 -6.891 -6.358 -7.683 1.00 0.00 C ATOM 1047 O GLU A 91 -6.344 -5.981 -8.724 1.00 0.00 O ATOM 1048 CB GLU A 91 -9.201 -6.956 -8.565 1.00 0.00 C ATOM 1049 CG GLU A 91 -8.942 -8.464 -8.666 1.00 0.00 C ATOM 1050 CD GLU A 91 -9.025 -8.963 -10.121 1.00 0.00 C ATOM 1051 OE1 GLU A 91 -10.145 -9.042 -10.681 1.00 0.00 O ATOM 1052 OE2 GLU A 91 -7.966 -9.287 -10.714 1.00 0.00 O ATOM 0 H GLU A 91 -9.380 -4.543 -8.120 1.00 0.00 H new ATOM 0 HA GLU A 91 -8.621 -6.801 -6.534 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.264 -6.790 -8.393 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.956 -6.490 -9.519 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.957 -8.691 -8.259 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -9.670 -8.999 -8.056 1.00 0.00 H new ATOM 1059 N PHE A 92 -6.219 -6.894 -6.670 1.00 0.00 N ATOM 1060 CA PHE A 92 -4.823 -7.297 -6.673 1.00 0.00 C ATOM 1061 C PHE A 92 -4.662 -8.614 -7.445 1.00 0.00 C ATOM 1062 O PHE A 92 -4.410 -9.667 -6.858 1.00 0.00 O ATOM 1063 CB PHE A 92 -4.346 -7.406 -5.216 1.00 0.00 C ATOM 1064 CG PHE A 92 -2.902 -7.789 -4.858 1.00 0.00 C ATOM 1065 CD1 PHE A 92 -1.959 -8.294 -5.792 1.00 0.00 C ATOM 1066 CD2 PHE A 92 -2.490 -7.580 -3.531 1.00 0.00 C ATOM 1067 CE1 PHE A 92 -0.643 -8.587 -5.386 1.00 0.00 C ATOM 1068 CE2 PHE A 92 -1.183 -7.885 -3.123 1.00 0.00 C ATOM 1069 CZ PHE A 92 -0.262 -8.375 -4.053 1.00 0.00 C ATOM 0 H PHE A 92 -6.666 -7.068 -5.770 1.00 0.00 H new ATOM 0 HA PHE A 92 -4.204 -6.557 -7.181 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.540 -6.440 -4.749 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -4.994 -8.133 -4.727 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -2.253 -8.454 -6.819 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.191 -7.178 -2.814 1.00 0.00 H new ATOM 0 HE1 PHE A 92 0.071 -8.974 -6.099 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -0.889 -7.742 -2.094 1.00 0.00 H new ATOM 0 HZ PHE A 92 0.750 -8.592 -3.743 1.00 0.00 H new ATOM 1079 N ARG A 93 -4.846 -8.556 -8.770 1.00 0.00 N ATOM 1080 CA ARG A 93 -4.588 -9.637 -9.742 1.00 0.00 C ATOM 1081 C ARG A 93 -5.183 -11.028 -9.390 1.00 0.00 C ATOM 1082 O ARG A 93 -4.690 -12.058 -9.860 1.00 0.00 O ATOM 1083 CB ARG A 93 -3.065 -9.690 -9.987 1.00 0.00 C ATOM 1084 CG ARG A 93 -2.707 -10.209 -11.389 1.00 0.00 C ATOM 1085 CD ARG A 93 -1.279 -10.759 -11.459 1.00 0.00 C ATOM 1086 NE ARG A 93 -0.265 -9.694 -11.362 1.00 0.00 N ATOM 1087 CZ ARG A 93 0.782 -9.648 -10.561 1.00 0.00 C ATOM 1088 NH1 ARG A 93 1.002 -10.476 -9.592 1.00 0.00 N ATOM 1089 NH2 ARG A 93 1.661 -8.721 -10.756 1.00 0.00 N ATOM 0 H ARG A 93 -5.197 -7.711 -9.221 1.00 0.00 H new ATOM 0 HA ARG A 93 -5.128 -9.388 -10.656 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -2.645 -8.693 -9.855 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -2.603 -10.332 -9.237 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -3.410 -10.992 -11.674 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.819 -9.401 -12.112 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.128 -11.476 -10.652 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.146 -11.300 -12.396 1.00 0.00 H new ATOM 0 HE ARG A 93 -0.387 -8.898 -11.988 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.341 -11.230 -9.405 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.837 -10.375 -9.015 1.00 0.00 H new ATOM 0 HH21 ARG A 93 1.535 -8.050 -11.513 1.00 0.00 H new ATOM 0 HH22 ARG A 93 2.481 -8.661 -10.152 1.00 0.00 H new ATOM 1103 N GLY A 94 -6.196 -11.081 -8.528 1.00 0.00 N ATOM 1104 CA GLY A 94 -6.724 -12.313 -7.923 1.00 0.00 C ATOM 1105 C GLY A 94 -7.191 -12.141 -6.471 1.00 0.00 C ATOM 1106 O GLY A 94 -8.112 -12.844 -6.048 1.00 0.00 O ATOM 0 H GLY A 94 -6.691 -10.245 -8.218 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -7.560 -12.672 -8.523 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.953 -13.083 -7.958 1.00 0.00 H new ATOM 1110 N SER A 95 -6.619 -11.188 -5.722 1.00 0.00 N ATOM 1111 CA SER A 95 -7.097 -10.740 -4.423 1.00 0.00 C ATOM 1112 C SER A 95 -7.706 -9.352 -4.653 1.00 0.00 C ATOM 1113 O SER A 95 -7.870 -8.921 -5.796 1.00 0.00 O ATOM 1114 CB SER A 95 -5.901 -10.685 -3.455 1.00 0.00 C ATOM 1115 OG SER A 95 -5.308 -11.964 -3.295 1.00 0.00 O ATOM 0 H SER A 95 -5.779 -10.694 -6.023 1.00 0.00 H new ATOM 0 HA SER A 95 -7.842 -11.406 -3.987 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.158 -9.982 -3.831 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.232 -10.311 -2.486 1.00 0.00 H new ATOM 0 HG SER A 95 -5.717 -12.421 -2.531 1.00 0.00 H new ATOM 1121 N VAL A 96 -8.040 -8.608 -3.620 1.00 0.00 N ATOM 1122 CA VAL A 96 -8.372 -7.170 -3.697 1.00 0.00 C ATOM 1123 C VAL A 96 -7.882 -6.550 -2.400 1.00 0.00 C ATOM 1124 O VAL A 96 -7.943 -7.212 -1.363 1.00 0.00 O ATOM 1125 CB VAL A 96 -9.859 -6.827 -4.021 1.00 0.00 C ATOM 1126 CG1 VAL A 96 -10.779 -8.036 -4.124 1.00 0.00 C ATOM 1127 CG2 VAL A 96 -10.508 -5.702 -3.206 1.00 0.00 C ATOM 0 H VAL A 96 -8.094 -8.980 -2.672 1.00 0.00 H new ATOM 0 HA VAL A 96 -7.868 -6.742 -4.564 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.748 -6.410 -5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -11.792 -7.704 -4.351 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.426 -8.695 -4.917 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.778 -8.576 -3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.540 -5.566 -3.531 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.492 -5.963 -2.148 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.954 -4.776 -3.359 1.00 0.00 H new ATOM 1137 N ILE A 97 -7.450 -5.294 -2.434 1.00 0.00 N ATOM 1138 CA ILE A 97 -7.010 -4.515 -1.265 1.00 0.00 C ATOM 1139 C ILE A 97 -7.829 -3.242 -1.122 1.00 0.00 C ATOM 1140 O ILE A 97 -8.306 -2.682 -2.104 1.00 0.00 O ATOM 1141 CB ILE A 97 -5.518 -4.122 -1.320 1.00 0.00 C ATOM 1142 CG1 ILE A 97 -5.060 -3.726 -2.738 1.00 0.00 C ATOM 1143 CG2 ILE A 97 -4.635 -5.214 -0.713 1.00 0.00 C ATOM 1144 CD1 ILE A 97 -3.600 -3.280 -2.834 1.00 0.00 C ATOM 0 H ILE A 97 -7.392 -4.765 -3.304 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.160 -5.171 -0.407 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.402 -3.228 -0.708 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -5.212 -4.575 -3.405 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.697 -2.919 -3.099 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.590 -4.908 -0.766 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -4.915 -5.371 0.329 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.770 -6.142 -1.269 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -3.366 -3.021 -3.867 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.443 -2.410 -2.197 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -2.949 -4.091 -2.507 1.00 0.00 H new ATOM 1156 N THR A 98 -7.910 -2.762 0.108 1.00 0.00 N ATOM 1157 CA THR A 98 -8.501 -1.502 0.554 1.00 0.00 C ATOM 1158 C THR A 98 -7.405 -0.778 1.307 1.00 0.00 C ATOM 1159 O THR A 98 -6.683 -1.396 2.104 1.00 0.00 O ATOM 1160 CB THR A 98 -9.651 -1.793 1.513 1.00 0.00 C ATOM 1161 OG1 THR A 98 -10.703 -2.412 0.799 1.00 0.00 O ATOM 1162 CG2 THR A 98 -10.221 -0.565 2.236 1.00 0.00 C ATOM 0 H THR A 98 -7.530 -3.289 0.894 1.00 0.00 H new ATOM 0 HA THR A 98 -8.882 -0.916 -0.282 1.00 0.00 H new ATOM 0 HB THR A 98 -9.230 -2.437 2.285 1.00 0.00 H new ATOM 0 HG1 THR A 98 -11.445 -2.603 1.410 1.00 0.00 H new ATOM 0 HG21 THR A 98 -11.033 -0.875 2.894 1.00 0.00 H new ATOM 0 HG22 THR A 98 -9.435 -0.093 2.826 1.00 0.00 H new ATOM 0 HG23 THR A 98 -10.600 0.146 1.502 1.00 0.00 H new ATOM 1170 N VAL A 99 -7.270 0.522 1.075 1.00 0.00 N ATOM 1171 CA VAL A 99 -6.116 1.288 1.546 1.00 0.00 C ATOM 1172 C VAL A 99 -6.513 2.679 1.997 1.00 0.00 C ATOM 1173 O VAL A 99 -7.402 3.323 1.438 1.00 0.00 O ATOM 1174 CB VAL A 99 -4.987 1.342 0.502 1.00 0.00 C ATOM 1175 CG1 VAL A 99 -4.658 -0.043 -0.047 1.00 0.00 C ATOM 1176 CG2 VAL A 99 -5.366 2.194 -0.678 1.00 0.00 C ATOM 0 H VAL A 99 -7.953 1.076 0.558 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.724 0.758 2.414 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.127 1.762 1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.856 0.038 -0.781 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.339 -0.692 0.769 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.543 -0.466 -0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -4.545 2.209 -1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.256 1.781 -1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.573 3.210 -0.342 1.00 0.00 H new ATOM 1186 N GLU A 100 -5.830 3.134 3.040 1.00 0.00 N ATOM 1187 CA GLU A 100 -6.080 4.431 3.670 1.00 0.00 C ATOM 1188 C GLU A 100 -4.883 4.861 4.497 1.00 0.00 C ATOM 1189 O GLU A 100 -4.089 4.036 4.952 1.00 0.00 O ATOM 1190 CB GLU A 100 -7.343 4.399 4.560 1.00 0.00 C ATOM 1191 CG GLU A 100 -7.359 3.495 5.791 1.00 0.00 C ATOM 1192 CD GLU A 100 -7.428 2.027 5.407 1.00 0.00 C ATOM 1193 OE1 GLU A 100 -8.510 1.539 5.000 1.00 0.00 O ATOM 1194 OE2 GLU A 100 -6.392 1.334 5.505 1.00 0.00 O ATOM 0 H GLU A 100 -5.076 2.608 3.481 1.00 0.00 H new ATOM 0 HA GLU A 100 -6.245 5.153 2.870 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -7.534 5.418 4.897 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.183 4.110 3.929 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.464 3.674 6.386 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -8.214 3.748 6.418 1.00 0.00 H new ATOM 1201 N ARG A 101 -4.759 6.169 4.727 1.00 0.00 N ATOM 1202 CA ARG A 101 -3.806 6.694 5.697 1.00 0.00 C ATOM 1203 C ARG A 101 -4.035 6.106 7.092 1.00 0.00 C ATOM 1204 O ARG A 101 -5.107 5.593 7.410 1.00 0.00 O ATOM 1205 CB ARG A 101 -3.791 8.221 5.687 1.00 0.00 C ATOM 1206 CG ARG A 101 -5.128 8.949 5.699 1.00 0.00 C ATOM 1207 CD ARG A 101 -6.104 8.555 6.803 1.00 0.00 C ATOM 1208 NE ARG A 101 -5.581 8.931 8.131 1.00 0.00 N ATOM 1209 CZ ARG A 101 -5.660 8.295 9.286 1.00 0.00 C ATOM 1210 NH1 ARG A 101 -6.244 7.143 9.436 1.00 0.00 N ATOM 1211 NH2 ARG A 101 -5.112 8.812 10.348 1.00 0.00 N ATOM 0 H ARG A 101 -5.310 6.884 4.251 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.809 6.373 5.396 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -3.221 8.555 6.554 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -3.243 8.544 4.802 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -4.934 10.019 5.780 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -5.615 8.785 4.738 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -7.064 9.042 6.635 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -6.282 7.480 6.769 1.00 0.00 H new ATOM 0 HE ARG A 101 -5.081 9.820 8.162 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -6.674 6.681 8.635 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -6.272 6.701 10.355 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -4.624 9.705 10.286 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -5.171 8.324 11.242 1.00 0.00 H new ATOM 1225 N ASP A 102 -3.014 6.225 7.913 1.00 0.00 N ATOM 1226 CA ASP A 102 -3.019 5.670 9.274 1.00 0.00 C ATOM 1227 C ASP A 102 -2.277 6.525 10.319 1.00 0.00 C ATOM 1228 O ASP A 102 -2.845 6.813 11.375 1.00 0.00 O ATOM 1229 CB ASP A 102 -2.477 4.240 9.228 1.00 0.00 C ATOM 1230 CG ASP A 102 -3.172 3.343 10.261 1.00 0.00 C ATOM 1231 OD1 ASP A 102 -4.221 2.739 9.936 1.00 0.00 O ATOM 1232 OD2 ASP A 102 -2.667 3.210 11.403 1.00 0.00 O ATOM 0 H ASP A 102 -2.150 6.708 7.667 1.00 0.00 H new ATOM 0 HA ASP A 102 -4.054 5.673 9.616 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -2.621 3.827 8.230 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -1.404 4.250 9.417 1.00 0.00 H new ATOM 1237 N ASP A 103 -1.062 6.998 10.023 1.00 0.00 N ATOM 1238 CA ASP A 103 -0.323 7.924 10.908 1.00 0.00 C ATOM 1239 C ASP A 103 -0.734 9.405 10.726 1.00 0.00 C ATOM 1240 O ASP A 103 -0.530 10.201 11.652 1.00 0.00 O ATOM 1241 CB ASP A 103 1.199 7.788 10.710 1.00 0.00 C ATOM 1242 CG ASP A 103 1.845 6.652 11.527 1.00 0.00 C ATOM 1243 OD1 ASP A 103 1.350 5.501 11.523 1.00 0.00 O ATOM 1244 OD2 ASP A 103 2.919 6.906 12.121 1.00 0.00 O ATOM 0 H ASP A 103 -0.559 6.755 9.169 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.591 7.632 11.924 1.00 0.00 H new ATOM 0 HB2 ASP A 103 1.403 7.620 9.652 1.00 0.00 H new ATOM 0 HB3 ASP A 103 1.675 8.731 10.981 1.00 0.00 H new ATOM 1249 N ASN A 104 -1.333 9.780 9.582 1.00 0.00 N ATOM 1250 CA ASN A 104 -1.794 11.148 9.270 1.00 0.00 C ATOM 1251 C ASN A 104 -3.308 11.202 9.029 1.00 0.00 C ATOM 1252 O ASN A 104 -4.055 11.351 10.023 1.00 0.00 O ATOM 1253 CB ASN A 104 -0.944 11.739 8.124 1.00 0.00 C ATOM 1254 CG ASN A 104 -1.313 13.168 7.744 1.00 0.00 C ATOM 1255 OD1 ASN A 104 -0.610 14.125 8.034 1.00 0.00 O ATOM 1256 ND2 ASN A 104 -2.419 13.352 7.063 1.00 0.00 N ATOM 0 H ASN A 104 -1.516 9.121 8.825 1.00 0.00 H new ATOM 0 HA ASN A 104 -1.637 11.789 10.137 1.00 0.00 H new ATOM 0 HB2 ASN A 104 0.106 11.712 8.415 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -1.048 11.103 7.245 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -2.691 14.292 6.776 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -3.007 12.555 6.820 1.00 0.00 H new TER 1263 ASN A 104